1-(2-methylphenyl)carbonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate

Systemtic Name: 1-(2-methylphenyl)carbonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate Openeye Name: 1-(2-methylbenzoyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-N-(1H-1,2,4-triazol-5-yl)-4-piperidinecarboximidate IUPAC Name: 1-(2-methylbenzoyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate Traditional Name: 1-o-toluoyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate Formula: C16H18N5O2- MolecularWeight: 312.34642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=NC3=NC=NN3)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C16H19N5O2/c1-11-4-2-3-5-13(11)15(23)21-8-6-12(7-9-21)14(22)19-16-17-10-18-20-16/h2-5,10,12H,6-9H2,1H3,(H2,17,18,19,20,22)/p-1